| SpectraBase Compound ID | Bena5Dpz0WN |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-13-9-11-21-12-16(13)20(3,10-5-6-14(2)19(24)25-4)17(21)8-7-15(21)18(22)23/h6,9,15-17H,5,7-8,10-12H2,1-4H3,(H,22,23)/b14-6+/t15-,16?,17+,20+,21+/m1/s1 |
| InChIKey | NJJHWXTWQAGIRM-SMFYIDNOSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9KSD2IN6j9 |
|---|---|
| Name | Isoprenyl derivative of Acorene - 12-Carboxylic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-13-9-11-21-12-16(13)20(3,10-5-6-14(2)19(24)25-4)17(21)8-7-15(21)18(22)23/h6,9,15-17H,5,7-8,10-12H2,1-4H3,(H,22,23)/b14-6+/t15-,16?,17+,20+,21+/m1/s1 |
| InChIKey | NJJHWXTWQAGIRM-SMFYIDNOSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | OC([C@@]1([C@]23[C@]([C@](CC\C=C\(C(=O)OC)C)(C)C(C3)C(=CC2)C)(CC1)[H])[H])=O |
| SPLASH | splash10-03di-0901000000-6ce35cc657140e753f29 |
| Source of Spectrum | X2-56-151-2 |
| Wiley ID | 1604728 |